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Target
Falcilysin
Ligand
BDBM50461733
Substrate
n/a
Meas. Tech.
ChEMBL_1771931 (CHEMBL4224043)
IC50
31000±n/a nM
Citation
 Chance, JP; Fejzic, H; Hernandez, O; Istvan, ES; Andaya, A; Maslov, N; Aispuro, R; Crisanto, T; Nguyen, H; Vidal, B; Serrano, W; Kuwahara, B; Pugne Andanado, C; Goldberg, DE; Mallari, JP Development of piperazine-based hydroxamic acid inhibitors against falcilysin, an essential malarial protease. Bioorg Med Chem Lett 28:1846-1848 (2018) [PubMed]  Article 
Target
Name:
Falcilysin
Synonyms:
3.4.24.- | Falcilysin
Type:
PROTEIN
Mol. Mass.:
138868.64
Organism:
Plasmodium falciparum (isolate 3D7)
Description:
ChEMBL_118121
Residue:
1193
Sequence:
MNLTKLMKVIGYINIITNCVQSFTNRADKKRYNVFAKSFINTINTNLYTFKAVMSKTPEWIHEKSPKHNSYDIIEKRYNEEFKMTYTVYQHKKAKTQVISLGTNDPLDVEQAFAFYVKTLTHSGKGIPHILEHSVLSGSKNYNYKNSIGLLEKGTLHTHLNAYTFNDRTVYMAGSMNNKDFFNIMGVYMDSVFQPNVLENKYIFETEGWTYEVEKLKEDEKGKAEIPQMKDYKVSFNGIVYNEMKGALSSPLEDLYHEEMKYMFPDNVHSNNSGGDPKEITNLTYEEFKEFYYKNYNPKKVKVFFFSKNNPTELLNFVDQYLGQLDYSKYRDDAVESVEYQTYKKGPFYIKKKYGDHSEEKENLVSVAWLLNPKVDKTNNHNNNHSNNQSSENNGYSNGSHSSDLSLENPTDYFVLLIINNLLIHTPESVLYKALTDCGLGNNVIDRGLNDSLVQYIFSIGLKGIKRNNEKIKNFDKVHYEVEDVIMNALKKVVKEGFNKSAVEASINNIEFILKEANLKTSKSIDFVFEMTSKLNYNRDPLLIFEFEKYLNIVKNKIKNEPMYLEKFVEKHFINNAHRSVILLEGDENYAQEQENLEKQELKKRIENFNEQEKEQVIKNFEELSKYKNAEESPEHLNKFPIISISDLNKKTLEVPVNVYFTNINENNNIMETYNKLKTNEHMLKDNMDVFLKKYVLKNDKHNTNNNNNNNNNMDYSFTETKYEGNVPILVYEMPTTGIVYLQFVFSLDHLTVDELAYLNLFKTLILENKTNKRSSEDFVILREKNIGSMSANVALYSKDDHLNVTDKYNAQALFNLEMHVLSHKCNDALNIALEAVKESDFSNKKKVIDILKRKINGMKTTFSEKGYAILMKYVKAHLNSKHYAHNIIYGYENYLKLQEQLELAENDFKTLENILVRIRNKIFNKKNLMVSVTSDYGALKHLFVNSNESLKNLVSYFEENDKYINDMQNKVNDPTVMGWNEEIKSKKLFDEEKVKKEFFVLPTFVNSVSMSGILFKPGEYLDPSFTVIVAALKNSYLWDTVRGLNGAYGVFADIEYDGSVVFLSARDPNLEKTLATFRESAKGLRKMADTMTENDLLRYIINTIGTIDKPRRGIELSKLSFLRLISNESEQDRVEFRKRIMNTKKEDFYKFADLLESKVNEFEKNIVIITTKEKANEYIANVDGEFKKVLIE
  
Inhibitor
Name:
BDBM50461733
Synonyms:
CHEMBL4229016
Type:
Small organic molecule
Emp. Form.:
C18H17BrFN3O5S
Mol. Mass.:
486.312
SMILES:
ONC(=O)C1CN(CCN1S(=O)(=O)c1ccc(Br)cc1)C(=O)c1cccc(F)c1
Structure:
Search PDB for entries with ligand similarity: